2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide

C23H20F4N4O2 — CID 91184923

IUPAC2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NN1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C23H20F4N4O2/c24-18-3-1-2-15(12-18)21-28-13-16(14-29-21)22(32)30-31-10-8-20(9-11-31)33-19-6-4-17(5-7-19)23(25,26)27/h1-7,12-14,20H,8-11H2,(H,30,32)
InChIKeyLGXMSFNRTFZGJH-UHFFFAOYSA-N
MW460.43 g/mol
LogP4.49
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide

2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 91184923) has the molecular formula C23H20F4N4O2 and a molecular weight of 460.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID91184923
Molecular FormulaC23H20F4N4O2
Molecular Weight460.43 g/mol
Exact Mass460.15
IUPAC Name2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NN1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C23H20F4N4O2/c24-18-3-1-2-15(12-18)21-28-13-16(14-29-21)22(32)30-31-10-8-20(9-11-31)33-19-6-4-17(5-7-19)23(25,26)27/h1-7,12-14,20H,8-11H2,(H,30,32)
InChIKeyLGXMSFNRTFZGJH-UHFFFAOYSA-N
XLogP4.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 86639371
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide
CID 142705657
N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide
CID 66596089
5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701183
3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 142705686
5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701046
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 67007568
5-(4-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 142705661
N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710373
N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 164533355
N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710844

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide (CID 91184923) is 2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide is O=C(NN1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1cnc(-c2cccc(F)c2)nc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is LGXMSFNRTFZGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4O2/c24-18-3-1-2-15(12-18)21-28-13-16(14-29-21)22(32)30-31-10-8-20(9-11-31)33-19-6-4-17(5-7-19)23(25,26)27/h1-7,12-14,20H,8-11H2,(H,30,32).
What are the key properties of 2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide?
2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 460.43 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 91184923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).